Related papers: A Gd@C82-based single molecular electret device wi…
Electron tunneling through a single magnetic barrier in a HgTe topological insulator has been theoretically investigated. We find that the perpendicular magnetic field would not lead to spin-flip of the edge states due to the conservation…
Optically trapped polar molecules are promising for quantum information processing, yet the accuracy of an entangling molecular gate is limited by the uncertainty of dipole-dipole interactions~(DDI) from the molecular motion in traps. We…
In the field of photocatalytic water splitting, no current studies have explicitly investigated the coexistence of multiple band-edge alignments in two-dimensional (2D) materials with intrinsic electric fields. In this Letter, we designed…
A better understanding of interfacial mechanisms is needed to improve the performances of electrochemical devices. Yet, simulating an electrode surface at fixed electrolyte composition remains a challenge. Here we apply a finite electric…
We investigate coherent electron transport through a parallel circuit of two quantum dots, each of which has a single tunable energy level. Electrons tunneling via each dot from the left lead interfere with each other at the right lead. It…
Formation of a magnetic hysteresis loop with respect to a bias voltage is investigated theoretically in a spin-valve device based on a single magnetic molecule. We consider a device consisting of two ferromagnetic electrodes bridged by a…
The realization of single-molecule electronic devices, in which a nanometer-scale molecule is connected to macroscopic leads, requires the reproducible production of highly ordered nanoscale gaps in which a molecule of interest is…
We study a device for entangling electrons as cotunneling occurs through a quantum dot where on-site electron-electron interactions $U$ are in place. The main advantage of this device is that single particle processes are forbidden by…
Transition metal dichalcogenides (TMDs) exist in various crystal structures with semiconducting, semi-metallic, and metallic properties. The dynamic control of these phases is of immediate interest for next generation electronics such as…
We investigate charge transport in C$_{60}$-based single-molecule junctions with graphene electrodes employing a combination of density functional theory (DFT) electronic structure calculations and Landauer transport theory. In particular,…
Embedding a magnetic electroactive molecule in a three-terminal junction allows for the fast and local electric field control of magnetic properties desirable in spintronic devices and quantum gates. Here, we provide an example of this…
We demonstrate single-electron pumping in a gate-defined carbon nanotube double quantum dot. By periodic modulation of the potentials of the two quantum dots we move the system around charge triple points and transport exactly one electron…
Metal/semiconductor interfaces govern the operation of semiconductor devices through the formation of charge injection barriers that can be controlled by tuning the metal work function. However, the controlling ability is typically limited…
Two point charges are placed in a spherical dielectric core-shell embedded in a dielectric environment, one of the charges being located in the core and the other in the shell. The core, shell, and environment are characterized by different…
We studied charge transport phenomena through a core substituted naphthalenediimide (NDI) single-molecule junctions using the electrochemical STM-based break junction technique in combination with DFT calculations. The conductance switch…
We propose a two-qubit gate based on dipolar exchange interactions between individually addressable ultracold polar molecules in an array of optical dipole traps. Our proposal treats the full Hamiltonian of the $^1\Sigma^+$ molecule NaCs,…
Many-body electron interactions are at the heart of chemistry and solid-state physics. Understanding these interactions is crucial for the development of molecular-scale quantum and nanoelectronic devices. Here, we investigate…
Low temperature electron transport measurements of single electron transistors fabricated in advanced CMOS technology with polysilicon gates not only exhibit clear Coulomb blockade behavior but also show a large number of additional…
In proposals for quantum computers using arrays of trapped ultracold polar molecules as qubits, a strong external field with appreciable gradient is imposed in order to prevent quenching of the dipole moments by rotation and to distinguish…
Conductance switching has been reported in many molecular junction devices, but in most cases has not been convincingly explained. We investigate conductance switching in Pt/stearic acid monolayer/Ti devices using pressure-modulated…